N-butyl-2-(2,2,2-trifluoroethoxy)propanamide

C9H16F3NO2 — CID 10513478

IUPACN-butyl-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCCNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-3-4-5-13-8(14)7(2)15-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyZMYVRIANCJXOHY-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.87
Rot. Bonds6

About N-butyl-2-(2,2,2-trifluoroethoxy)propanamide

N-butyl-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 10513478) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-butyl-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-butyl-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID10513478
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-butyl-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCCNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-3-4-5-13-8(14)7(2)15-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyZMYVRIANCJXOHY-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-butyl-2-(2,2,2-trifluoroethoxy)propanamide (CID 10513478) is N-butyl-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-butyl-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-butyl-2-(2,2,2-trifluoroethoxy)propanamide is CCCCNC(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-butyl-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZMYVRIANCJXOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-3-4-5-13-8(14)7(2)15-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-butyl-2-(2,2,2-trifluoroethoxy)propanamide?
N-butyl-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 227.23 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 10513478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).